Name to Structure Format options




converts names containig OCR (optical character recognition) error.
Example: convert the defective name "3-rnethyl-l-methoxynaphthalene" to SMILES

molconvert 'smiles:T*' -s '3-rnethyl-l-methoxynaphthalene' -f name:ocr


disable conversion of systematic names


disable conversion of common names (such as aspirin)


disable conversion of the name of chemical elements, for instance carbon, sodium, .... Even though "carbon" is not converted, "methane" still is, since it is a molecule name for CH4, not an element.


disable conversion of atomic ion syntax, for instance "Ca2+".


disable conversion of groups and fragments, such as "oxo" or "methyl".


disable the conversion of CAS registry numbers


disable the conversion of CAS names


specify the location of the custom dictionary. Example: name:dict=C:\Users\Me\MyDictionary.smi.


enable the usage of a custom webservice at the given URL

Some of these options are mainly useful when configuring which names Document to Structure recognizes.

To enable an option, a + sign can be used before the option name. For instance, both forms ocr and +ocr are accepted to enable this option.